0 mol 16 unq 0 iso 0 dist 5.05803 7.03948 6.2983 6.42835 5.01101 9.87867 5.30082 6.93532 11.7521 5.94982 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.03987 7.685 10.3635 7.6114 5.86705 7.1845 5.68392 6.85556 9.71382 6.29797 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.62496 9.64665 4.67832 9.22598 9.87158 8.59939 9.95364 8.80614 10.4309 9.01564 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 6.35756 8.89374 6.47744 8.96727 9.87158 14.6599 5.49591 8.80614 9.11258 9.01564 numMergedOcc 0
4 mol 58 unq 2 iso 0 dist 6.35756 8.89374 6.47744 8.01308 5.86526 9.47022 5.49591 8.80614 9.11258 7.11065 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 11.6378 9.27838 13.1462 7.58875 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 9.96396 8.70133 7.41074 9.73086 5.70116 6.15714 5.11416 9.24757 7.10439 6.14542 numMergedOcc 0
7 mol 73 unq 1 iso 0 dist 6.19304 4.65521 7.41074 8.68662 6.20232 6.10063 6.56633 9.24757 7.10439 8.96616 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.19304 4.65521 7.41074 7.4369 5.70116 6.15714 6.56633 9.24757 7.10439 6.14542 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 8.94367 8.79571 5.41704 7.21868 8.06642 5.67107 4.57832 6.23142 8.73604 9.0176 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 6.37586 5.42582 5.41704 7.93372 8.06642 5.67107 5.29786 6.23142 8.73604 9.0176 numMergedOcc 0
11 mol 134 unq 2 iso 0 dist 9.86662 8.79571 6.17103 7.21868 4.00092 5.67107 4.57832 9.94764 8.73604 9.0176 numMergedOcc 0
12 mol 134 unq 3 iso 0 dist 9.71307 5.42582 6.17103 7.93372 4.00092 5.67107 5.29786 9.94764 8.73604 9.0176 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 5.50031 7.92304 13.3276 9.16358 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 5.50031 7.92304 9.80845 9.16358 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 7.20191 9.39829 13.5221 5.99437 numMergedOcc 0
16 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 9.55105 5.83796 10.2172 7.20191 9.39829 13.5221 8.4848 numMergedOcc 0
17 mol 181 unq 2 iso 0 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 7.20191 9.39829 14.5372 5.99437 numMergedOcc 0
18 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 9.55105 5.83796 14.2334 7.20191 9.39829 14.5372 8.4848 numMergedOcc 0
19 mol 181 unq 4 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 5.63555 5.9176 5.97685 8.12266 numMergedOcc 0
20 mol 181 unq 5 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 7.20191 6.41453 13.5221 5.99437 numMergedOcc 0
21 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 5.63555 5.9176 5.97685 9.43306 numMergedOcc 0
22 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 7.20191 6.41453 13.5221 8.4848 numMergedOcc 0
23 mol 181 unq 8 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 5.63555 5.9176 8.9289 8.12266 numMergedOcc 0
24 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 7.20191 6.41453 14.5372 5.99437 numMergedOcc 0
25 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 5.63555 5.9176 8.9289 9.43306 numMergedOcc 0
26 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 7.20191 6.41453 14.5372 8.4848 numMergedOcc 0
27 mol 204 unq 0 iso 0 dist 8.51516 5.90931 12.9483 7.9133 5.57347 11.2106 5.86489 7.32294 11.641 9.48625 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 6.35849 7.43071 12.2922 9.18728 numMergedOcc 0
29 mol 227 unq 1 iso 0 dist 7.22101 8.17891 6.43754 5.23634 5.0317 4.09934 10.9607 5.41321 7.57454 8.91971 numMergedOcc 0
30 mol 227 unq 2 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 10.204 7.43071 19.0662 9.18728 numMergedOcc 0
31 mol 227 unq 3 iso 0 dist 8.65997 9.62609 14.6185 6.91318 5.0317 11.5454 9.72615 5.41321 14.0608 8.91971 numMergedOcc 0
32 mol 227 unq 4 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 10.204 7.43071 12.2922 9.18728 numMergedOcc 0
33 mol 227 unq 5 iso 0 dist 8.65997 6.95902 6.43754 6.91318 5.0317 4.09934 9.72615 5.41321 7.57454 8.91971 numMergedOcc 0
34 mol 227 unq 6 iso 0 dist 7.09863 8.17891 9.13836 5.23634 5.83175 4.09934 6.35849 6.02296 12.2922 9.18728 numMergedOcc 0
